3-fluoro-5-N-(quinoxalin-6-ylmethyl)-1,2-dihydropyridine-4,5-diamine

C14H14FN5 — CID 176561576

IUPAC3-fluoro-5-N-(quinoxalin-6-ylmethyl)-1,2-dihydropyridine-4,5-diamine
SMILESNC1=C(F)CNC=C1NCc1ccc2nccnc2c1
InChIInChI=1S/C14H14FN5/c15-10-7-17-8-13(14(10)16)20-6-9-1-2-11-12(5-9)19-4-3-18-11/h1-5,8,17,20H,6-7,16H2
InChIKeyBTFDZNGZEOFJHI-UHFFFAOYSA-N
MW271.30 g/mol
LogP1.30
Rot. Bonds3

About 3-fluoro-5-N-(quinoxalin-6-ylmethyl)-1,2-dihydropyridine-4,5-diamine

3-fluoro-5-N-(quinoxalin-6-ylmethyl)-1,2-dihydropyridine-4,5-diamine (PubChem CID 176561576) has the molecular formula C14H14FN5 and a molecular weight of 271.30 g/mol. Its IUPAC name is 3-fluoro-5-N-(quinoxalin-6-ylmethyl)-1,2-dihydropyridine-4,5-diamine.

Molecular Properties

Compound Name3-fluoro-5-N-(quinoxalin-6-ylmethyl)-1,2-dihydropyridine-4,5-diamine
PubChem CID176561576
Molecular FormulaC14H14FN5
Molecular Weight271.30 g/mol
Exact Mass271.12
IUPAC Name3-fluoro-5-N-(quinoxalin-6-ylmethyl)-1,2-dihydropyridine-4,5-diamine
SMILESNC1=C(F)CNC=C1NCc1ccc2nccnc2c1
InChIInChI=1S/C14H14FN5/c15-10-7-17-8-13(14(10)16)20-6-9-1-2-11-12(5-9)19-4-3-18-11/h1-5,8,17,20H,6-7,16H2
InChIKeyBTFDZNGZEOFJHI-UHFFFAOYSA-N
XLogP1.30
TPSA75.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.30
LogP ≤ 51.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-chloro-4-methoxy-N-(quinoxalin-6-ylmethyl)-1,2-dihydropyridin-5-amine
CID 168937063
propane;5-(quinoxalin-6-ylmethylamino)-3-(trifluoromethyl)-1,2-dihydropyridin-4-ol
CID 168936928
4-(azetidin-3-yloxy)-3-chloro-N-(quinoxalin-6-ylmethyl)-1,2-dihydropyridin-5-amine
CID 176691496
3-methyl-4-(4-methylpiperazin-1-yl)-N-(quinoxalin-6-ylmethyl)-1,2-dihydropyridin-5-amine
CID 176561484
ethane;4-piperazin-1-yl-N-(quinoxalin-6-ylmethyl)-1,2-dihydropyridin-5-amine
CID 168936937
3-chloro-4-(4,7-diazaspiro[2.5]octan-7-yl)-N-(quinoxalin-6-ylmethyl)-1,2-dihydropyridin-5-amine
CID 176561428
2,4-difluoro-N-(quinoxalin-6-ylmethyl)aniline
CID 53299083
6-fluoro-4-methyl-7-pyrrolidin-1-yl-N-(quinoxalin-6-ylmethyl)cyclohepta-1,3,6-trien-1-amine
CID 176561499
4-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-N-(quinoxalin-6-ylmethyl)-1,2-dihydropyridin-5-amine
CID 168936819
N-(quinoxalin-6-ylmethyl)ethanamine
CID 62848680
N-(quinoxalin-6-ylmethyl)propan-2-amine
CID 62848682
4-methyl-N-(quinoxalin-6-ylmethyl)pyridin-3-amine
CID 176561492

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-5-N-(quinoxalin-6-ylmethyl)-1,2-dihydropyridine-4,5-diamine?
The IUPAC name of 3-fluoro-5-N-(quinoxalin-6-ylmethyl)-1,2-dihydropyridine-4,5-diamine (CID 176561576) is 3-fluoro-5-N-(quinoxalin-6-ylmethyl)-1,2-dihydropyridine-4,5-diamine.
What is the SMILES notation for 3-fluoro-5-N-(quinoxalin-6-ylmethyl)-1,2-dihydropyridine-4,5-diamine?
The canonical SMILES for 3-fluoro-5-N-(quinoxalin-6-ylmethyl)-1,2-dihydropyridine-4,5-diamine is NC1=C(F)CNC=C1NCc1ccc2nccnc2c1.
What is the InChIKey of 3-fluoro-5-N-(quinoxalin-6-ylmethyl)-1,2-dihydropyridine-4,5-diamine?
The InChIKey is BTFDZNGZEOFJHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FN5/c15-10-7-17-8-13(14(10)16)20-6-9-1-2-11-12(5-9)19-4-3-18-11/h1-5,8,17,20H,6-7,16H2.
What are the key properties of 3-fluoro-5-N-(quinoxalin-6-ylmethyl)-1,2-dihydropyridine-4,5-diamine?
3-fluoro-5-N-(quinoxalin-6-ylmethyl)-1,2-dihydropyridine-4,5-diamine has a molecular weight of 271.30 g/mol, XLogP of 1.30, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-5-N-(quinoxalin-6-ylmethyl)-1,2-dihydropyridine-4,5-diamine is sourced from PubChem (CID 176561576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).